Compound 8g

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Compound data: CIF

Synthetic procedure: See article for the definitive version of this procedure and for full experimental details.

Prepared according to the general procedure outlined in 8. ¹H NMR (600 MHz, DMSO-d₆) δ 7.75 (d, J = 7.4 Hz, 1H, NH), 7.69 (d, J = 7.4 Hz, 1H, NH), 7.02 (d, J = 3.7 Hz, 1H, Ar), 7.01 (d, J = 3.7 Hz, 1H, Ar), 6.63 (d, J = 3.7, 1H, Ar), 6.62 (d, J = 3.7, 1H, Ar) 5.22 (td, J = 7.4, 4.4 Hz, 1H, (C1')–H), 5.08 (d, J = 5.4 Hz, 1H, OH), 3.92–3.98 (m, 1H, (C2')–H), 1.13 (d, J = 6.4 Hz, 3H, (C3')–H₃). ¹H NMR (400 MHz, DMSO-d₆ + D₂O) δ 7.01 (d, J = 3.7 Hz, 1H, Ar), 7.00 (d, J = 3.7 Hz, 1H, Ar), 6.63 (d, J = 3.7 Hz, 2H, Ar), 5.18 (d, J = 4.3 Hz, 1H, (C1')–H), 3.94 (qd, J = 6.4, 4.3 Hz, 1H, (C2')–H), 1.12 (d, J = 6.4 Hz, (C3')–H₃). ¹³C NMR (151 MHz, DMSO-d₆) δ 168.2^*, 167.9^*, 138.5^*, 138.4^*, 106.9^*, 106.9^*, 70.2, 67.3, 19.2 (^*diastereotopic resonance). HRMS ESI [M + H]⁺ cal. for C₉H₁₃N₄OS₂ 257.0525; obs. 257.0521. IR (solid, cm^–1): 3178, 3115, 2974, 2885, 1556, 1537, 1519, 1504. M.p. 138–140 °C. Single crystal X-ray structure (CCD 1477051; Supplementary Figure 160)